2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one

C11H12BrN3O2 — CID 67981775

IUPAC2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(N)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H12BrN3O2/c1-17-5-4-15-10(16)8-6-7(12)2-3-9(8)14-11(15)13/h2-3,6H,4-5H2,1H3,(H2,13,14)
InChIKeySIWWEXWHBYKQRC-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.39
Rot. Bonds3

About 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one

2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 67981775) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID67981775
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1c(N)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H12BrN3O2/c1-17-5-4-15-10(16)8-6-7(12)2-3-9(8)14-11(15)13/h2-3,6H,4-5H2,1H3,(H2,13,14)
InChIKeySIWWEXWHBYKQRC-UHFFFAOYSA-N
XLogP1.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one
CID 67981761
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-bromo-3-(2-methoxyethyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 31804431
(2S)-2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 8643774
6-bromo-3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 32865472
6-bromo-3-(2-methoxyethyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 112785030
6-bromo-2-[(6-chloro-3-pyridinyl)methylsulfanyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 55525202
6-bromo-3-(2-methoxyethyl)-2-[(1R)-2-oxocycloheptyl]sulfanylquinazolin-4-one
CID 35499550
3-[[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 32864447
6-bromo-3-(2-methoxyethyl)-2-[(3R)-2-oxoazepan-3-yl]sulfanylquinazolin-4-one
CID 42323568
2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 42323509
6-bromo-3-(2-methoxyethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 38837613

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one (CID 67981775) is 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one is COCCn1c(N)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is SIWWEXWHBYKQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-17-5-4-15-10(16)8-6-7(12)2-3-9(8)14-11(15)13/h2-3,6H,4-5H2,1H3,(H2,13,14).
What are the key properties of 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one?
2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 298.14 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 67981775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).